Spektraris NMR
(2R,6aR,12aR)-2-Isopropenyl-1,2,6a,12a-tetrahydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]furo[3,2-g]chromene
![(2R,6aR,12aR)-2-Isopropenyl-1,2,6a,12a-tetrahydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]furo[3,2-g]chromene](/nmr/static/nmr/svg/11458.svg)
Common Name: (2R,6aR,12aR)-2-Isopropenyl-1,2,6a,12a-tetrahydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]furo[3,2-g]chromene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O5/c1-10(2)15-4-11-3-13-17(6-16(11)25-15)22-8-14-12-5-19-20(24-9-23-19)7-18(12)26-21(13)14/h3,5-7,14-15,21H,1,4,8-9H2,2H3/t14-,15?,21-/m0/s1
InChIKey: InChIKey=JDLWWTGCAJYSSZ-KMXFRGQCSA-N
Formula: C21H18O5
Molecular Weight: 350.365412
Exact Mass: 350.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palazzino, G., Rasoanaivo, P., Federici, E., Nicoletti, M., Galeffi, C. Phytochemistry (2003) 63, 471-4
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 126.2 |
| 2 (C) | 120.8 |
| 3 (C) | 161.4 |
| 4 (CH) | 98.2 |
| 4a (C) | 156.3 |
| 6 (CH2) | 66.5 |
| 6a (CH) | 40.1 |
| 6b (C) | 118.1 |
| 7 (CH) | 104.7 |
| 8 (C) | 141.8 |
| 9 (C) | 147.5 |
| 10 (CH) | 93.7 |
| 10a (C) | 154.1 |
| 11a (CH) | 79 |
| 11b (C) | 111.8 |
| 1' (CH2) | 33.8 |
| 2' (CH) | 86.6 |
| 3' (C) | 143.7 |
| 4' (CH3) | 17.1 |
| 5' (CH2) | 112.1 |
| 8a (CH2) | 101.2 |
